cis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide

C19H27NO2 — CID 164946745

IUPACcis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)[C@@H]1C[C@H]1CCCc1ccccc1
InChIInChI=1S/C19H27NO2/c21-17-11-9-16(10-12-17)20-19(22)18-13-15(18)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,15-18,21H,4,7-13H2,(H,20,22)/t15-,16?,17?,18-/m1/s1
InChIKeyZBFDUMDBYXSXQL-AQEOSJORSA-N
MW301.43 g/mol
LogP3.07
Rot. Bonds6

About cis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide

cis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide (PubChem CID 164946745) has the molecular formula C19H27NO2 and a molecular weight of 301.43 g/mol. Its IUPAC name is cis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide
PubChem CID164946745
Molecular FormulaC19H27NO2
Molecular Weight301.43 g/mol
Exact Mass301.20
IUPAC Namecis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide
SMILESO=C(NC1CCC(O)CC1)[C@@H]1C[C@H]1CCCc1ccccc1
InChIInChI=1S/C19H27NO2/c21-17-11-9-16(10-12-17)20-19(22)18-13-15(18)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,15-18,21H,4,7-13H2,(H,20,22)/t15-,16?,17?,18-/m1/s1
InChIKeyZBFDUMDBYXSXQL-AQEOSJORSA-N
XLogP3.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide (CID 164946745) is cis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide is O=C(NC1CCC(O)CC1)[C@@H]1C[C@H]1CCCc1ccccc1.
What is the InChIKey of cis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide?
The InChIKey is ZBFDUMDBYXSXQL-AQEOSJORSA-N. The full InChI is InChI=1S/C19H27NO2/c21-17-11-9-16(10-12-17)20-19(22)18-13-15(18)8-4-7-14-5-2-1-3-6-14/h1-3,5-6,15-18,21H,4,7-13H2,(H,20,22)/t15-,16?,17?,18-/m1/s1.
What are the key properties of cis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide?
cis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide has a molecular weight of 301.43 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-(4-hydroxycyclohexyl)-2-(3-phenylpropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 164946745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).